SCHEMBL7972732

SCHEMBL7972732

NC(=O)N(O)C[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.61
▸ SLC9A1 P19634 1/20 0.54
▸ TSHR P16473 2/20 0.43
▸ CACNA1F O60840 2/20 0.41
▸ CACNA1D Q01668 2/20 0.41
▸ CACNA1S Q13698 2/20 0.41
▸ CACNA1C Q13936 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GUSB P08236 1/20 0.40
▸ HIF1A Q16665 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7972729 1.00 ALOX5 (0.61) ALOX5SLC9A1TSHRCACNA1FCACNA1D
SCHEMBL7361743 0.80 SLC9A1 (0.56) SLC9A1TSHRCACNA1FCACNA1DCACNA1S
SCHEMBL7973022 0.80 ALOX5 (0.66) ALOX5
SCHEMBL7969398 0.80 ALOX5 (0.66) ALOX5SLC9A1TP53
SCHEMBL7969393 0.80 ALOX5 (0.66) ALOX5SLC9A1TP53
SCHEMBL7973024 0.80 ALOX5 (0.66) ALOX5
SCHEMBL7969487 0.80 ALOX5 (0.66) ALOX5KDM1A
SCHEMBL7970862 0.80 ALOX5 (0.66) ALOX5
SCHEMBL7970860 0.80 ALOX5 (0.66) ALOX5
SCHEMBL7969491 0.80 ALOX5 (0.66) ALOX5KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 — — US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 — — EP disclosed
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